IEL
Summary
Name: | N~6~-[(1Z)-ethanimidoyl]-L-lysine |
Formula: | C8 H17 N3 O2 |
Formal charge: | 0 |
Formula weight: | 187.239 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | N~6~-[(1Z)-ethanimidoyl]-L-lysine |
OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-6-(ethanimidoylamino)hexanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCCCNC(=[N@H])C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=N)NCCCC[C@H](N)C(O)=O |
SMILES | CACTVS | 3.341 | CC(=N)NCCCC[CH](N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/C)\NCCCC[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(C)NCCCCC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1 |
InChIKey | InChI | 1.03 | ONYFNWIHJBLQKE-ZETCQYMHSA-N |